Residual factor R for reflections that satisfy the resolution
limits established by _refine_ls_shell.d_res_high and
_refine_ls_shell.d_res_low and the observation limit
established by _reflns.observed_criterion, and that were used
as the working reflections (i.e. were included in the
refinement) when the refinement included the calculation of
a 'free' R factor. Details of how reflections were assigned
to the working and test sets are given in _reflns.R_free_details.
sum|F_{obs} - F_{calc}|
R = ---------------------
sum|F_{obs}|
F_{obs} = the observed structure-factor amplitudes
F_{calc} = the calculated structure-factor amplitudes
sum is taken over the specified reflections

Additional Descriptive Information for Depositors

Within the indicated shell, Sum(abs((abs(F-obs)-abs(F-calc)))/Sum(abs(F-obs)) on working data, i.e. the data used in calculating the structural model throughout the structure solution and refinement process

Data Type

Data type code

float

Data type detail

float item types are the subset of numbers that are the floating
numbers.